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| Other Sizes |
| Targets |
3-Carboxyphenylboronic acid has been shown to moderately inhibit γ-glutamyl transpeptidase (γ-GTP) activity, with an inhibitory effect of approximately 12%. It also inhibits Actinomadura sp. R39 penicillin-binding protein with an IC₅₀ of 400,000 nM. The compound has been reported to activate signal pathways involved in tumor growth, survival, and metastasis.
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| ln Vitro |
In vitro, 3-carboxyphenylboronic acid has demonstrated moderate inhibitory activity against γ-glutamyl transpeptidase (γ-GTP) and penicillin-binding protein. Its primary utility, however, is as a chemical reagent in organic synthesis, where it participates in various reactions, including esterification and Suzuki coupling.
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| ln Vivo |
3-Carboxyphenylboronic acid is not typically used as a therapeutic agent in vivo. Its applications are primarily in the chemical and pharmaceutical industries as a synthetic intermediate. Its low bioavailability limits its use in biological systems. It is primarily excreted through urine.
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| Enzyme Assay |
Non-cellular enzyme assays for 3-carboxyphenylboronic acid involve assessing its inhibition of γ-glutamyl transpeptidase (γ-GTP) activity. The enzyme is incubated with a substrate in the presence of varying concentrations of the compound, and the enzymatic activity is measured spectrophotometrically. The percentage inhibition is calculated and compared to control assays.
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| Cell Assay |
In vitro cellular assays for 3-carboxyphenylboronic acid are not standard, as it is primarily a chemical reagent. Its effects on tumor cell signaling pathways could be investigated in cell culture, but such studies are not widely documented. Its primary use in a cellular context would be as a tool to modulate specific pathways if a clear biological target is identified.
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| Animal Protocol |
In vivo animal experiments are not applicable for 3-carboxyphenylboronic acid, as it is not a therapeutic agent. It is used in the synthesis of other compounds that may be tested in animal models, but the boronic acid itself is not administered for pharmacological studies.
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| ADME/Pharmacokinetics |
3-Carboxyphenylboronic acid has a molecular weight of 165.94 and a molecular formula of C₇H₇BO₄. It is a solid powder with a purity of ≥95%. The compound is typically stored at room temperature in a dry place. It is soluble in organic solvents and slightly soluble in water. It is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
3-Carboxyphenylboronic acid is generally considered to have low toxicity. Standard laboratory safety precautions should be followed when handling the compound. It may cause skin, eye, and respiratory irritation. Appropriate personal protective equipment should be used.
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| Additional Infomation |
3-Carboxyphenylboronic acid (CAS 25487-66-5) is an organoboron compound used as a building block in organic synthesis, particularly in Suzuki coupling reactions. It has been studied for its moderate inhibition of γ-glutamyl transpeptidase and penicillin-binding protein. Its primary applications are in chemical synthesis and pharmaceutical research.
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| Molecular Formula |
C7H7BO4
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|---|---|
| Molecular Weight |
165.93908
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| Exact Mass |
166.043
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| CAS # |
25487-66-5
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| PubChem CID |
2733957
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
434.5±47.0 °C at 760 mmHg
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| Melting Point |
243-247 °C(lit.)
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| Flash Point |
216.6±29.3 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.585
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| LogP |
1.27
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
171
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)C1=CC=CC(B(O)O)=C1
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| InChi Key |
DBVFWZMQJQMJCB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
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| Chemical Name |
3-boronobenzoic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.0263 mL | 30.1314 mL | 60.2627 mL | |
| 5 mM | 1.2053 mL | 6.0263 mL | 12.0525 mL | |
| 10 mM | 0.6026 mL | 3.0131 mL | 6.0263 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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